SCHEMBL946762

SCHEMBL946762

CC(C)Cc1ccc(C(C)c2ccc3c(c2)CCCC3(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.44
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
PGR P06401 1/20 0.39
RXRA P19793 1/20 0.38
CCNE1 P24864 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL946763 0.86 PGR (0.41) KARS1MEN1CYP3A4KMT2ATSHR
SCHEMBL948879 0.81 PGR (0.41) KARS1CYP3A4PGR
SCHEMBL7780878 0.69 PTGS1 (0.57) TSHRCYP2C9
SCHEMBL17028624 0.68 PGR (0.48) CYP3A4PGR
SCHEMBL12517021 0.66 PGR (0.42) KARS1MEN1KMT2ACYP2C19MAPT
SCHEMBL5749365 0.65 KDM1A (0.58) CYP3A4TSHRCYP2C9CYP2C19PGR
SCHEMBL31650219 0.65 KDM1A (0.58) CYP3A4TSHRCYP2C9CYP2C19PGR
SCHEMBL8735903 0.65 KARS1 (0.40) KARS1MEN1CYP3A4KMT2ATSHR
SCHEMBL12620611 0.64 MAPT (0.49) KARS1MEN1KMT2ACYP2C19MAPT
SCHEMBL16002902 0.64 KDM1A (0.59) MEN1KMT2ACYP2C19MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 EP disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 KARS1 1183/4885MEN1 458/4885CYP3A4 1437/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KARS1 1618/4885MEN1 435/4885CYP3A4 1856/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KARS1 1618/4885MEN1 435/4885CYP3A4 1856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.